4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitro-phenoxy)methyl]-1,4-oxazepane

Systemtic Name: 4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitro-phenoxy)methyl]-1,4-oxazepane Openeye Name: 4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitro-phenoxy)methyl]-1,4-oxazepane CAS Name: 4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitrophenoxy)methyl]-1,4-oxazepane IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-[(2-methoxy-5-nitrophenoxy)methyl]-1,4-oxazepane Traditional Name: 4-(4-chlorobenzyl)-2-[(2-methoxy-5-nitro-phenoxy)methyl]-1,4-oxazepane Formula: C20H23ClN2O5 MolecularWeight: 406.86002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC2CN(CCCO2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC2CN(CCCO2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN2O5/c1-26-19-8-7-17(23(24)25)11-20(19)28-14-18-13-22(9-2-10-27-18)12-15-3-5-16(21)6-4-15/h3-8,11,18H,2,9-10,12-14H2,1H3